Merge branch 'test_intel' of github.com:plumed/plumed2 into test_intel

plumed · Nov 30, 2023 · f52c0d8 · f52c0d8
2 parents 95b0190 + 34139d7
commit f52c0d8
Showing 1 changed file with 3 additions and 2 deletions.
diff --git a/src/vatom/Center.cpp b/src/vatom/Center.cpp
@@ -24,6 +24,7 @@
 #include "core/PlumedMain.h"
 #include "core/Atoms.h"
 #include <cmath>
+#include <limits>
 
 namespace PLMD {
 namespace vatom {
@@ -152,7 +153,7 @@ void Center::registerKeywords(Keywords& keys) {
 Center::Center(const ActionOptions&ao):
   Action(ao),
   ActionWithVirtualAtom(ao),
-  charge_(nan("")),
+  charge_(std::numeric_limits<double>::lowest()),
   mass_(-1),
   isChargeSet_(false),
   isMassSet_(false),
@@ -169,7 +170,7 @@ Center::Center(const ActionOptions&ao):
   parseFlag("NOPBC",nopbc);
   parseFlag("PHASES",phases);
   parse("SET_CHARGE",charge_);
-  if(!std::isnan(charge_)) isChargeSet_=true;
+  if(charge_!=std::numeric_limits<double>::lowest()) isChargeSet_=true;
   parse("SET_MASS",mass_);
   if(mass_>0.) isMassSet_=true;
   if(mass_==0.) error("SETMASS must be greater than 0");